6XMR

X-ray crystallographic structure model of Lactococcus lactis prolidase mutant H38S

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08B1-1
Synchrotron site	CLSI
Beamline	08B1-1
Temperature [K]	100
Detector technology	CCD
Collection date	2019-12-22
Detector	RAYONIX MX300HE
Wavelength(s)	0.97935
Spacegroup name	P 21 21 21
Unit cell lengths	80.760, 85.710, 117.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.570 - 1.700
R-factor	0.1662
Rwork	0.165
R-free	0.19840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4zng
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.570	1.760
High resolution limit [Å]	1.680	1.680
Rmerge	0.108
Rmeas	0.117
Rpim	0.044
Number of reflections	93477	11518
<I/σ(I)>	15.9
Completeness [%]	100.0	99.99
Redundancy	7.18	7.45
CC(1/2)	0.999	0.623

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.75	277.15	0.1 M calcium acetate, 0.1 M Bis-Tris propane, 12-15% w/v PEG3350